SCHEMBL16761986

SCHEMBL16761986

c1cc(C2CC2)ccc1Oc1cnc(C2OCCO2)cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.41
▸ EGLN1 Q9GZT9 3/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 3/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ RXRB P28702 3/20 0.31
▸ HRH3 Q9Y5N1 3/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16762143 0.83 MMP13 (0.38) RXRB
SCHEMBL16838909 0.76 HAO1 (0.47) HAO1EGLN1SLC6A2SLC6A4SLC6A3
SCHEMBL16761981 0.71 HAO1 (0.43) HAO1EGLN1SLC6A2SLC6A4SLC6A3
SCHEMBL16838785 0.69 HAO1 (0.49) HAO1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL26022605 0.69 HAO1 (0.46) HAO1EGLN1SLC6A2SLC6A4SLC6A3
SCHEMBL3138476 0.69 KDM4E (0.56) HAO1HRH3CYP3A4
SCHEMBL31064698 0.68 CHRNA7 (0.43) —
Hydrochloric Acid SCHEMBL31615873 0.67 HAO1 (0.44) HAO1SLC6A2SLC6A4SLC6A3
SCHEMBL16838788 0.66 NPBWR1 (0.45) HAO1EGLN1NPBWR1MCHR1
SCHEMBL16023895 0.66 HAO1 (0.42) HAO1EGLN1KCNH2SCN5ASCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2881384-B1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2018-05-30 — — EP disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — US disclosed
EP-2881384-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2015-06-10 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 HAO1 1116/4885EGLN1 3/4885SLC6A2 1975/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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